3-ethyl-7-methyl-1-prop-2-ynyl-8-(2-thiophen-3-ylethynyl)purine-2,6-dione

Systemtic Name: 3-ethyl-7-methyl-1-prop-2-ynyl-8-(2-thiophen-3-ylethynyl)purine-2,6-dione Openeye Name: 3-ethyl-7-methyl-1-prop-2-ynyl-8-[2-(3-thienyl)ethynyl]purine-2,6-dione CAS Name: 3-ethyl-7-methyl-1-prop-2-ynyl-8-[2-(3-thiophenyl)ethynyl]purine-2,6-dione IUPAC Name: 3-ethyl-7-methyl-1-prop-2-ynyl-8-(2-thiophen-3-ylethynyl)purine-2,6-dione Traditional Name: 3-ethyl-7-methyl-1-propargyl-8-[2-(3-thienyl)ethynyl]xanthine Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC#C)N(C(=N2)C#CC3=CSC=C3)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC#C)N(C(=N2)C#CC3=CSC=C3)C

InChI

InChI=1S/C17H14N4O2S/c1-4-9-21-16(22)14-15(20(5-2)17(21)23)18-13(19(14)3)7-6-12-8-10-24-11-12/h1,8,10-11H,5,9H2,2-3H3